N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride

C20H24ClN3O2S — CID 120664424

IUPACN-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)N(CCCN)Cc3ccccc3)cccc2c1.Cl
InChIInChI=1S/C20H23N3O2S.ClH/c1-16-13-18-9-5-10-19(20(18)22-14-16)26(24,25)23(12-6-11-21)15-17-7-3-2-4-8-17;/h2-5,7-10,13-14H,6,11-12,15,21H2,1H3;1H
InChIKeyPZQCEYZRNWCKRB-UHFFFAOYSA-N
MW405.95 g/mol
LogP3.50
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride (PubChem CID 120664424) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride
PubChem CID120664424
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)N(CCCN)Cc3ccccc3)cccc2c1.Cl
InChIInChI=1S/C20H23N3O2S.ClH/c1-16-13-18-9-5-10-19(20(18)22-14-16)26(24,25)23(12-6-11-21)15-17-7-3-2-4-8-17;/h2-5,7-10,13-14H,6,11-12,15,21H2,1H3;1H
InChIKeyPZQCEYZRNWCKRB-UHFFFAOYSA-N
XLogP3.50
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide
CID 119982695
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide
CID 120664348
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylquinoline-8-sulfonamide
CID 46529653
ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 55728980
N-(3-aminopropyl)-N-benzyl-2,3-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120664274
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
N-(3-aminopropyl)-N-benzyl-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
CID 120664281
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride (CID 120664424) is N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride is Cc1cnc2c(S(=O)(=O)N(CCCN)Cc3ccccc3)cccc2c1.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride?
The InChIKey is PZQCEYZRNWCKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S.ClH/c1-16-13-18-9-5-10-19(20(18)22-14-16)26(24,25)23(12-6-11-21)15-17-7-3-2-4-8-17;/h2-5,7-10,13-14H,6,11-12,15,21H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride is sourced from PubChem (CID 120664424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).